J. Nakamura et al., Soft x-ray spectroscopy experiments on the near K-edge of B in MB2 (M = Mg, Al, Ta, and Nb) - art. no. 174504, PHYS REV B, 6417(17), 2001, pp. 4504
Soft x-ray-absorption and emission measurements are performed for the K-edg
e of B in MB2 (M = Mg, Al, Ta, and Nb). Unique feature of MgB2 with a high
density of the B 2p(xy)(sigma) state below and above the Fermi edge, which
extends to 1 eV above the edge, is confirmed. In contrast, the B 2p density
of states in AlB2 and TaB2, both of occupied and unoccupied states, decrea
sed linearly towards the Fermi energy and showed a dip at the Fermi energy.
Furthermore, there is a broadening of the peaks with p sigma character in
x-ray emission spectra and x-ray-absorption sepctra of AlB2, which is due t
o the increase of three dimensionality in the p sigma band in AlB2. The den
sity of states (DOS) of NbB2 has a dip just below the Fermi energy. The pre
sent results indicate that the large DOS of B-2p sigma states near the Ferm
i energy are crucial for the superconductivity of MgB2.